N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide

C14H20N2O2 — CID 6381920

IUPACN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
SMILESC/C(=N/NC(=O)COc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-11(14(2,3)4)15-16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,17)/b15-11-
InChIKeyYROYUCRUMRICQP-PTNGSMBKSA-N
MW248.33 g/mol
LogP2.60
Rot. Bonds4

About N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide

N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide (PubChem CID 6381920) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
PubChem CID6381920
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
SMILESC/C(=N/NC(=O)COc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H20N2O2/c1-11(14(2,3)4)15-16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,17)/b15-11-
InChIKeyYROYUCRUMRICQP-PTNGSMBKSA-N
XLogP2.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
CID 3467390
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-phenoxy-N-(1-phenylpropan-2-ylideneamino)acetamide
CID 5152097
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905
2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
CID 102030717
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide?
The IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide (CID 6381920) is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide?
The canonical SMILES for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide is C/C(=N/NC(=O)COc1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide?
The InChIKey is YROYUCRUMRICQP-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(14(2,3)4)15-16-13(17)10-18-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,17)/b15-11-.
What are the key properties of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide?
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide has a molecular weight of 248.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide is sourced from PubChem (CID 6381920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).